CID 71756642

(4-chloro-6-(dimethylamino)pyrimidin-5-yl)methanol

Structural Information

Molecular Formula
C7H10ClN3O
SMILES
CN(C)C1=C(C(=NC=N1)Cl)CO
InChI
InChI=1S/C7H10ClN3O/c1-11(2)7-5(3-12)6(8)9-4-10-7/h4,12H,3H2,1-2H3
InChIKey
ASKHSFWKGLHIAA-UHFFFAOYSA-N
Compound name
[4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.05124 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05852 136.5
[M+Na]+ 210.04046 146.2
[M-H]- 186.04396 137.9
[M+NH4]+ 205.08506 154.6
[M+K]+ 226.01440 143.6
[M+H-H2O]+ 170.04850 130.0
[M+HCOO]- 232.04944 154.7
[M+CH3COO]- 246.06509 184.5
[M+Na-2H]- 208.02591 143.1
[M]+ 187.05069 139.4
[M]- 187.05179 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.